0 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.18 CC1=CC(=O)OC1=O C60582 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,0,0,0,0,0|0,0,0]=0 5 B8R1.18 CC1=CC(Br)=NN1C B41126 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.18 CC1=CC(C)=NN1C T41425 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.18 CC1=CC(Cl)=NN1C C41128 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.18 CC1=CC(N)=NN1C D41245 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.18 CC1=NC(Br)=C(C)S1 B41110 [0,0,0,0,0,0|2,1,1]=4 10 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.18 CC1=NN(C)C(=O)C1 D39183 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.18 CC1=NN(C)C(Br)=C1 B27171 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.18 CC1=NN(C)C(Br)=C1 B2989 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.18 CC1=NN(C)C(N)=C1 D1041 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.18 CC1=NN(C)C(O)=C1 D9461 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.18 CC1=NN(C)C=C1Br B12747 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.18 CC1=NN(C)C=C1I K41135 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.18 CC1=NN(C)C=C1N A10473 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.18 CC1=NN(C)C=C1N D41244 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.18 CN1N=C(Br)C=C1Br D63345 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.18 CN1N=C(Cl)C=C1N C15698 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.18 CN1N=C(Cl)C=C1N C21712 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.18 CN1N=C(N)C=C1Br B40193 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.18 CN1N=C(N)C=C1Cl C40196 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.18 CN1SC(Cl)=CC1=O C69553 [0,0,0,0,0,0|2,1,0]=3 26 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.18 O=C1C=C(Br)C(=O)O1 B69515 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C40066 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.2 CC1=CC(=O)CC1 M22783 [1,0,0,0,0,0|1,0,0]=2 31 B7R1.2 CC1=CC(=O)CO1 M41117 [1,0,0,0,0,0|0,0,0]=1 32 B7R1.2 CC1=CC(=O)NN1 M12010 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.2 CC1=CC(=O)NO1 M68379 [1,0,0,0,0,0|1,0,0]=2 34 B7R1.2 CC1=CC(Br)=CS1 B40867 [1,0,0,0,0,0|1,1,1]=4 35 B7R1.2 CC1=CC(Br)=NN1 B9765 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.2 CC1=CC(Br)=NO1 B2183 [1,0,0,0,0,0|2,0,0]=3 37 B7R1.2 CC1=CC(C)=NO1 D39182 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.2 CC1=CC(Cl)=NN1 C7548 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.2 CC1=CC(I)=NN1 I26594 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.2 CC1=CC(N)=NN1 A11614 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.2 CC1=CC(N)=NO1 A12655 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.2 CC1=CC=C(Br)O1 B41015 [1,0,0,0,0,0|1,0,1]=3 43 B7R1.2 CC1=CC=C(Br)S1 B40865 [1,0,0,0,0,0|1,1,1]=4 44 B7R1.2 CC1=CC=C(C)S1 D43320 [1,0,0,0,0,0|0,1,1]=3 45 B7R1.2 CC1=CC=C(I)S1 K40868 [1,0,0,0,0,0|1,1,1]=4 46 B7R1.2 CC1=CN(C)N=C1 D69464 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.2 CC1=CN=C(C)S1 D38993 [1,0,0,0,0,0|1,1,1]=4 48 B7R1.2 CC1=CNC(C)=N1 D41187 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.2 CC1=CSC(C)=N1 D41174 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.2 CC1=CSC(N)=C1 A0597 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.2 CC1=NC(N)=NO1 M39856 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.2 CC1=NN(C)C=C1 D4115 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.2 CC1=NN=C(C)O1 D13454 [1,0,0,0,0,0|2,0,1]=4 54 B7R1.2 CC1=NNC(=O)C1 M68628 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.2 CC1=NNC(=O)O1 M39837 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.2 CC1=NNC(Br)=C1 B40114 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.2 CC1=NNC(I)=C1 K40122 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.2 CC1=NNC(N)=C1 M40220 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.2 CC1=NNC(O)=C1 M0907 [1,0,0,0,0,0|2,0,1]=4 60 B7R1.2 CC1=NOC(N)=C1 A37936 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.2 CC1=NSC(I)=C1 I6114 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.2 CC1=NSC(N)=C1 M65783 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.2 CN1C=CC(=O)N1 M40182 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.2 CN1C=CC(Br)=N1 B5930 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.2 CN1C=CC(Cl)=N1 C64917 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.2 CN1C=CC(I)=N1 M13226 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.2 CN1C=CC(N)=N1 A3263 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.2 CN1C=C[N+](C)=C1 D23670 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,0,0,0|2,0,1]=4 70 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,0,0,0,0,0|2,0,1]=4 71 B7R1.2 NC1=CC(=O)NN1 A0899 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.2 NC1=NC(=O)CO1 A39836 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.2 NC1=NC(=O)CS1 A2444 [1,0,0,0,0,0|2,1,0]=4 74 B7R1.2 NC1=NC(=O)CS1 A67692 [1,0,0,0,0,0|2,1,0]=4 75 B7R1.2 NC1=NCC(=O)S1 A64749 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.2 O=C1C=C(Br)CO1 B3416 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.2 O=C1CCC(=O)C1 C13761 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.2 O=C1CNC(=O)N1 K68378 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.2 O=C1CNC(=O)O1 X68377 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.2 O=C1CSC(=O)N1 T69276 [1,0,0,0,0,0|2,1,0]=4 81 B7R1.2 O=C1CSC(=S)N1 T68348 [1,0,0,0,0,0|2,1,0]=4 82 B7R1.4 CC1=C(Br)C=NO1 B40106 [1,0,0,0,0,0|2,0,1]=4 83 B7R1.4 CC1=CC=NN1C D3267 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.4 CN1N=CC=C1I M9757 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.4 CN1N=CC=C1N M12745 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.4 CN1N=CC=C1O M23117 [1,0,0,0,0,0|2,0,1]=4 87 B7R1.4 CN1N=CCC1=O M40183 [1,0,0,0,0,0|2,0,1]=4 88 B7R1.4 CN1NC=CC1=O M40184 [1,0,0,0,0,0|2,0,0]=3 89 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,0,0,0|0,0,2]=3 90 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,0,0,0|1,0,2]=4 91 B7R1.4 C[C@H]1CCNC1=O M41257 [1,0,0,0,0,0|2,0,1]=4 92 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.22 CC1=CC(C)=C(C=O)N1 D37937 [0,1,0,0,0,0|2,0,1]=4 94 B9R1.22 CC1=NC(C)=C(C=O)N1 D39065 [0,1,0,0,0,0|2,0,1]=4 95 B9R1.22 CC1=NN(C)C(C=O)=C1 D3606 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.22 CC1=NN(C)C(CCl)=C1 C1040 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.22 CC1=NN(C)C(CO)=C1 D3957 [0,1,0,0,0,0|2,0,1]=4 98 B9R1.22 CC1=NN(C)C=C1C=O D9711 [0,1,0,0,0,0|2,0,1]=4 99 B9R1.23 CC1=CC(CCl)=NN1C C11366 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.23 CC1=CC(CN)=NN1C A11367 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.23 CC1=CC(CO)=NN1C H11365 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.37 CC1=NN(C)C(C)=C1Br B39280 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.37 CC1=NN(C)C(C)=C1N A43436 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.37 CC1=NN(C)C(C)=C1N T41491 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.37 CC1=NN(C)C(N)=C1Br B22143 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.37 C[C@H]1C(=O)OC(=O)N1C D24385 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.38 CC1(C)CC(=O)OC1=O D67953 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.38 CC1(C)NC(=O)NC1=O D10013 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.38 CC1(C)NC(=S)NC1=O D62361 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.38 CC1(C)OC(=O)NC1=O D60733 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.2 CCC(=O)CC(C)=O H69646 [0,0,1,0,0,0|0,0,2]=3 112 B7R0.2 CCC(=O)OC(C)=O A41227 [0,0,1,0,0,0|1,0,1]=3 113 B7R0.2 COC(=O)C=C(C)C M41461 [0,0,1,0,0,0|2,0,0]=3 114 B7R0.2 COC(=O)CC(=O)O M37882 [0,0,1,0,0,0|2,0,1]=4 115 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,0,1,0,0,0|1,0,2]=4 116 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,0,1,0,0,0|1,0,2]=4 117 B7R0.2 COC(=O)\C=C(\C)N M68908 [0,0,1,0,0,0|2,0,0]=3 118 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,0,1,0,0,0|2,0,1]=4 119 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,0,1,0,0,0|1,0,1]=3 120 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,0,1,0,0,0|2,0,1]=4 121 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,0,1,0,0,0|1,1,1]=4 122 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,0,1,0,0,0|1,0,1]=3 123 B7R0.7 CCOC(=O)\C=C\I E41181 [0,0,1,0,0,0|2,0,0]=3 124 B7R0.7 CCOC(C)=NC#N E41191 [0,0,1,0,0,0|2,0,1]=4 125 B9R2.25 O=C1OC(=O)C2CC12 X24282 [0,0,0,1,0,0|3,0,0]=4 126 B9R2.39 O=C1NC2CCC1C2 A64651 [0,0,0,1,0,0|2,0,1]=4 127 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,1,0,0|2,0,1]=4 128 B9R1.34 CC1=CC(=O)C=C(C)N1 D4504 [0,0,0,0,0,1|1,0,1]=3 129 B9R1.34 CC1=CC(=O)NC(=O)N1 M60790 [0,0,0,0,0,1|2,0,1]=4 130 B9R1.34 CC1=CC(=O)NC(N)=N1 A61030 [0,0,0,0,0,1|2,0,1]=4 131 B9R1.34 CC1=CC(=O)NC(O)=C1 H0016 [0,0,0,0,0,1|2,0,1]=4 132 B9R1.34 CC1=CC(Br)=CC(C)=N1 B32225 [0,0,0,0,0,1|2,0,1]=4 133 B9R1.34 CC1=CC(Br)=NC(C)=C1 B23884 [0,0,0,0,0,1|2,0,1]=4 134 B9R1.34 CC1=CC(Br)=NC(C)=N1 B42970 [0,0,0,0,0,1|2,0,1]=4 135 B9R1.34 CC1=CC(C)=CC(Br)=C1 B39512 [0,0,0,0,0,1|2,0,1]=4 136 B9R1.34 CC1=CC(C)=CC(F)=C1 D49162 [0,0,0,0,0,1|2,0,1]=4 137 B9R1.34 CC1=CC(C)=CC([Mg+])=C1 D31739 [0,0,0,0,0,1|2,0,1]=4 138 B9R1.34 CC1=CC(C)=NC(C)=C1 T69125 [0,0,0,0,0,1|2,0,1]=4 139 B9R1.34 CC1=CC(Cl)=CC(C)=N1 C36740 [0,0,0,0,0,1|2,0,1]=4 140 B9R1.34 CC1=CC(Cl)=NC(C)=C1 C46101 [0,0,0,0,0,1|2,0,1]=4 141 B9R1.34 CC1=CC(Cl)=NC(C)=N1 C23724 [0,0,0,0,0,1|2,0,1]=4 142 B9R1.34 CC1=CC(N)=CC(C)=N1 D3945 [0,0,0,0,0,1|2,0,1]=4 143 B9R1.34 CC1=CC(N)=NC(C)=C1 A43617 [0,0,0,0,0,1|2,0,1]=4 144 B9R1.34 CC1=CC(O)=CC(=O)N1 H43145 [0,0,0,0,0,1|2,0,1]=4 145 B9R1.34 CC1=CC(O)=NC(C)=C1 D69531 [0,0,0,0,0,1|1,0,2]=4 146 B9R1.34 CC1=CC(O)=NC(C)=N1 D43193 [0,0,0,0,0,1|1,0,2]=4 147 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [0,0,0,0,0,1|2,0,1]=4 148 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [0,0,0,0,0,1|0,0,2]=3 149 B9R1.69 CC1=CC(Br)=C(C)C=C1 D39511 [0,0,0,0,0,1|2,0,1]=4 150 B9R1.69 CC1=CC(Br)=C(C)C=N1 B46084 [0,0,0,0,0,1|2,0,1]=4 151 B9R1.69 CC1=CC(Br)=CNC1=O B42891 [0,0,0,0,0,1|2,0,1]=4 152 B9R1.69 CC1=CC(C)=C(Br)C=C1 D39510 [0,0,0,0,0,1|2,0,1]=4 153 B9R1.69 CC1=CC(C)=C(Br)C=N1 B46086 [0,0,0,0,0,1|2,0,1]=4 154 B9R1.69 CC1=CC(C)=C([Mg+])C=C1 D31735 [0,0,0,0,0,1|2,0,1]=4 155 B9R1.69 CC1=CC(C)=NNC1=O D15210 [0,0,0,0,0,1|2,0,1]=4 156 B9R1.69 CC1=CC(F)=C(C)C=C1 F49165 [0,0,0,0,0,1|2,0,1]=4 157 B9R1.69 CC1=CC([Mg+])=C(C)C=C1 D31736 [0,0,0,0,0,1|2,0,1]=4 158 B9R1.69 CC1=CC=C(N)C(C)=N1 D43608 [0,0,0,0,0,1|2,0,1]=4 159 B9R1.69 CC1=CN=C(Br)C(C)=C1 B46080 [0,0,0,0,0,1|2,0,1]=4 160 B9R1.69 CC1=CN=C(C)C(C)=C1 T39433 [0,0,0,0,0,1|2,0,1]=4 161 B9R1.69 CC1=CN=C(C)C=C1N D22447 [0,0,0,0,0,1|2,0,1]=4 162 B9R1.69 CC1=CN=C(Cl)C(C)=N1 C42988 [0,0,0,0,0,1|2,0,1]=4 163 B9R1.69 CC1=CN=C(I)C(C)=N1 K63360 [0,0,0,0,0,1|2,0,1]=4 164 B9R1.69 CC1=CN=C(N)C(C)=C1 D43610 [0,0,0,0,0,1|2,0,1]=4 165 B9R1.69 CC1=CNC(=O)C(C)=N1 D69506 [0,0,0,0,0,1|1,0,1]=3 166 B9R1.69 CC1=CNC(=O)C(Cl)=N1 C40933 [0,0,0,0,0,1|2,0,1]=4 167 B9R1.69 CC1=CNC(=O)C(N)=C1 A43211 [0,0,0,0,0,1|2,0,1]=4 168 B9R1.69 CC1=NC(C)=C(Br)C=C1 B46082 [0,0,0,0,0,1|2,0,1]=4 169 B9R1.69 CC1=NC(C)=C(Br)C=N1 B42971 [0,0,0,0,0,1|2,0,1]=4 170 B9R1.69 CC1=NC(C)=C(N)C=N1 D43336 [0,0,0,0,0,1|2,0,1]=4 171 B9R1.69 CC1=NC(C)=C(O)C=C1 D67987 [0,0,0,0,0,1|1,0,2]=4 172 B9R1.69 CC1=NC(C)=C(O)C=N1 D43192 [0,0,0,0,0,1|1,0,2]=4 173 B9R1.69 CN1C=C(Br)C=CC1=O B1570 [0,0,0,0,0,1|3,0,0]=4 174 B9R1.69 CN1C=C(Br)C=NC1=O B40922 [0,0,0,0,0,1|3,0,0]=4 175 B9R1.69 CN1C=C(Br)N=CC1=O B40921 [0,0,0,0,0,1|3,0,0]=4 176 B9R1.69 CN1C=C(F)C=CC1=O F42931 [0,0,0,0,0,1|3,0,0]=4 177 B9R1.69 CN1C=C(I)C=CC1=O I36800 [0,0,0,0,0,1|3,0,0]=4 178 B9R1.69 CN1C=C(N)C=CC1=O A0224 [0,0,0,0,0,1|3,0,0]=4 179 B9R1.69 CN1C=C(N)C=CC1=O A7467 [0,0,0,0,0,1|3,0,0]=4 180 B9R1.69 CN1C=CC(Br)=CC1=O B7728 [0,0,0,0,0,1|3,0,0]=4 181 B9R1.69 CN1C=CC(I)=CC1=O K42937 [0,0,0,0,0,1|3,0,0]=4 182 B9R1.69 CN1C=CC(N)=CC1=O A9086 [0,0,0,0,0,1|3,0,0]=4 183 B9R1.69 CN1C=CC(N)=CC1=O P0053 [0,0,0,0,0,1|3,0,0]=4 184 B9R1.69 CN1C=NC(Cl)=CC1=O C40937 [0,0,0,0,0,1|3,0,0]=4 185 B9R1.69 CN1N=C(Br)C=CC1=O B40924 [0,0,0,0,0,1|3,0,0]=4 186 B9R1.69 CN1N=CC(I)=CC1=O I12967 [0,0,0,0,0,1|3,0,0]=4 187 B9R1.69 CN1N=CC(N)=CC1=O A12961 [0,0,0,0,0,1|3,0,0]=4 188 B9R1.69 C[C@@H]1NC(=O)CNC1=O M65174 [0,0,0,0,0,1|2,0,1]=4 189 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.69 C[C@H]1CN(C)CCC1=O D23777 [0,0,0,0,0,1|2,0,1]=4 191 B6R0.1 CC=CC(=O)CC H41457 [1,0,1,0,0,0|0,0,0]=2 192 B6R0.1 CCOC(=O)CO E37817 [1,0,1,0,0,0|1,0,1]=4 193 B6R0.1 CCO\C(C)=N\O E68624 [1,0,1,0,0,0|1,0,1]=4 194 B6R0.1 COC(=O)\C=C/Br B3417 [1,0,1,0,0,0|2,0,0]=4 195 B6R0.1 COC(=O)\C=C/I I2748 [1,0,1,0,0,0|2,0,0]=4 196 B6R0.1 COC(=O)\C=C\I M40173 [1,0,1,0,0,0|2,0,0]=4 197 B6R0.2 CC(=O)C=C(C)N A41256 [1,0,1,0,0,0|1,0,0]=3 198 B6R0.2 CC(=O)O[C@H](C)Br B40231 [1,0,1,0,0,0|2,0,0]=4 199 B6R0.4 COC=CC(C)=O M41222 [1,0,1,0,0,0|1,0,1]=4 200 B6R0.4 O=C(O)\C=C\CBr B37272 [1,0,1,0,0,0|2,0,0]=4 201 B6R0.3 C=C[C@H](C)C(=O)O M60559 [1,0,1,0,0,0|1,0,1]=4 202 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,0,1,0,0,0|1,0,1]=4 203 B6R0.3 CNC(=O)[C@H](C)N A40308 [1,0,1,0,0,0|2,0,0]=4 204 B6R0.3 CN[C@@H](C)C(=O)O M68914 [1,0,1,0,0,0|2,0,0]=4 205 B6R0.3 CN[C@H](C)C(=O)O M63076 [1,0,1,0,0,0|2,0,0]=4 206 B6R0.3 COC(=O)[C@@H](C)O M68913 [1,0,1,0,0,0|1,0,0]=3 207 B6R0.3 COC(=O)[C@H](C)Cl M68359 [1,0,1,0,0,0|2,0,0]=4 208 B6R0.3 COC(=O)[C@H](C)N A68085 [1,0,1,0,0,0|2,0,0]=4 209 B6R0.3 COC(=O)[C@H](C)N M68343 [1,0,1,0,0,0|2,0,0]=4 210 B6R0.3 COC(=O)[C@H](C)O M69777 [1,0,1,0,0,0|1,0,0]=3 211 B6R0.3 CON(C)C(C)=O M3307 [1,0,1,0,0,0|1,0,1]=4 212 B6R0.3 CO[C@@H](C)C(=O)O M11053 [1,0,1,0,0,0|1,0,0]=3 213 B6R0.3 CO[C@@H](C)C(=O)O M69861 [1,0,1,0,0,0|1,0,0]=3 214 B6R0.3 CO[C@H](C)C(=O)O M8894 [1,0,1,0,0,0|1,0,0]=3 215 B6R1.2 BrC1=COC=C1 B40068 [2,0,0,0,0,0|1,0,1]=4 216 B6R1.2 BrC1=NOC=C1 B37012 [2,0,0,0,0,0|2,0,0]=4 217 B6R1.2 CC1=CC=CN1 M37933 [2,0,0,0,0,0|1,0,1]=4 218 B6R1.2 CC1=CC=CS1 M39179 [2,0,0,0,0,0|0,1,1]=4 219 B6R1.2 CC1=CC=NO1 M24354 [2,0,0,0,0,0|1,0,0]=3 220 B6R1.2 CC1=CNC=C1 M14657 [2,0,0,0,0,0|2,0,0]=4 221 B6R1.2 CC1=NNC=C1 M36663 [2,0,0,0,0,0|2,0,0]=4 222 B6R1.2 CC1=NOC=C1 M40157 [2,0,0,0,0,0|2,0,0]=4 223 B6R1.2 CN1C=CC=N1 M12066 [2,0,0,0,0,0|2,0,0]=4 224 B6R1.2 NC1=CC=NO1 X67704 [2,0,0,0,0,0|2,0,0]=4 225 B6R1.2 NC1=NOC=C1 I0613 [2,0,0,0,0,0|2,0,0]=4 226 B6R1.2 O=C1C=CCC1 C26583 [2,0,0,0,0,0|1,0,0]=3 227 B6R1.2 O=C1C=CCO1 F5673 [2,0,0,0,0,0|1,0,0]=3 228 B6R1.2 O=C1C=CNN1 P32282 [2,0,0,0,0,0|2,0,0]=4 229 B6R1.2 O=C1C=CSN1 T60536 [2,0,0,0,0,0|1,1,0]=4 230 B6R1.2 O=C1CC=CC1 C19712 [2,0,0,0,0,0|1,0,1]=4 231 B6R1.2 O=C1CCOC1 X0391 [2,0,0,0,0,0|0,0,2]=4 232 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,1,1,0,0,0|2,0,0]=4 233 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [0,1,1,0,0,0|0,0,2]=4 234 B8R0.19 CCC(=O)CC(=O)CC H43801 [0,1,1,0,0,0|0,0,2]=4 235 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,1,1,0,0,0|0,0,2]=4 236 B8R0.19 CNC(C)=CC(=O)OC M41506 [0,1,1,0,0,0|2,0,0]=4 237 B8R0.19 COC(=O)\C=C(/C)OC M5601 [0,1,1,0,0,0|1,0,0]=3 238 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [0,1,1,0,0,0|2,0,0]=4 239 B8R0.23 CC(=O)N[C@H](C)C(=O)O A68583 [0,1,1,0,0,0|2,0,0]=4 240 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A64092 [0,1,1,0,0,0|1,0,0]=3 241 B8R0.23 CC(=O)O[C@H](C)C(=O)O A64091 [0,1,1,0,0,0|1,0,0]=3 242 B8R0.1 CCOC(=O)\C=C\C=O E69342 [0,1,1,0,0,0|1,0,0]=3 243 B8R0.1 CCOC(=O)\C=C\CBr E43399 [0,1,1,0,0,0|2,0,0]=4 244 B8R1.1 CC1=CC(C=O)=CS1 M29797 [1,1,0,0,0,0|0,1,1]=4 245 B8R1.1 CC1=CC(C=O)=NN1 M41030 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.1 CC1=CC(CN)=NO1 M15781 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.1 CC1=CC=C(CN)O1 M37131 [1,1,0,0,0,0|0,0,1]=3 248 B8R1.1 CC1=CC=C(CO)O1 M43304 [1,1,0,0,0,0|0,0,1]=3 249 B8R1.1 CC1=COC(C=O)=C1 M13538 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.1 CC1=CSC(C=O)=C1 M42959 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.1 CC1=NC(C=O)=CO1 M3278 [1,1,0,0,0,0|1,0,1]=4 252 B8R1.1 CC1=NC(C=O)=NO1 M32392 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.1 CC1=NC=C(CN)O1 M41197 [1,1,0,0,0,0|1,0,1]=4 254 B8R1.1 CC1=NC=C(CO)O1 M37561 [1,1,0,0,0,0|1,0,1]=4 255 B8R1.1 CC1=NOC(CN)=C1 M41364 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.1 CCC1=CC(N)=NO1 E41190 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.1 CCC1=CC=C(C)S1 E43745 [1,1,0,0,0,0|0,1,1]=4 258 B8R1.1 CN1C=CC(CCl)=N1 C25609 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.1 CN1C=CC(CN)=N1 M9952 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.1 CN1C=CC(CO)=N1 M9953 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.1 COC1=CC(=O)CC1 M61379 [1,1,0,0,0,0|1,0,0]=3 262 B8R1.1 COC1=CC(=O)NC1 M41169 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.1 COC1=CC(N)=NO1 M40185 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.1 ClCC1=CC(Br)=NO1 B2105 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.1 O=C1C=C(CBr)CO1 B31582 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.1 O=C1C=C(CI)CO1 I6261 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.1 O=C1C=C(CO)CO1 H1535 [1,1,0,0,0,0|1,0,1]=4 268 B8R1.1 OCC1=CC(Br)=NO1 B2177 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.50 CC1=C(Br)C(=O)NN1 B40127 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.50 CC1=C(C)C(N)=NO1 D1375 [1,1,0,0,0,0|2,0,0]=4 271 B8R1.50 CC1=NOC(C)=C1Br B7571 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.50 CC1=NOC(C)=C1I D39177 [1,1,0,0,0,0|2,0,0]=4 273 B8R1.50 O=C1OCC(Br)=C1Br D2821 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.11 CN1C=CC=C1C=O M17296 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.11 CN1N=CC=C1C=O M12515 [1,1,0,0,0,0|2,0,0]=4 276 B8R1.11 CSC1=C(C)OC=C1 M43319 [1,1,0,0,0,0|0,1,1]=4 277 B10R1.8 CC1=CC(C)=CC(C=O)=C1 D49876 [0,1,0,0,0,1|1,0,1]=4 278 B10R1.8 CC1=CC(C=O)=CC(C)=N1 D38336 [0,1,0,0,0,1|1,0,1]=4 279 B10R1.8 COC1=NC(=O)C=C(C)N1 M43223 [0,1,0,0,0,1|1,0,1]=4 280 B10R1.8 CSC1=NC(=O)C=C(C)N1 M43259 [0,1,0,0,0,1|1,0,1]=4 281 B10R1.22 CC1=CC(=O)NC(C)=C1Br B36913 [0,1,0,0,0,1|1,0,1]=4 282 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 C60664 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.329 CC1=CC(=O)CC(C)(C)C1 T60774 [0,1,0,0,0,1|1,0,0]=3 284 B10R1.329 CC1=CC(=O)[N-]S(=O)(=O)O1 A60648 [0,1,0,0,0,1|2,0,0]=4 285 B10R1.25 CC1=CC(C)=C(C=O)C=C1 D49874 [0,1,0,0,0,1|1,0,1]=4 286 B10R1.25 CC1=CC(C)=C(C=O)C=N1 D49261 [0,1,0,0,0,1|1,0,1]=4 287 B10R1.30 CC1=CC(C=O)=C(C)C=C1 D38715 [0,1,0,0,0,1|1,0,1]=4 288 B10R1.118 CC1=CC(=O)N(C)N=C1Cl C16622 [0,1,0,0,0,1|2,0,0]=4 289 B10R1.118 C[C@H]1OC(=O)[C@@H](C)OC1=O D32147 [0,1,0,0,0,1|1,0,1]=4 290 B10R1.176 CN1C=C(CN)C=CC1=O A12261 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.176 CN1C=C(CN)C=CC1=O A31857 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.176 CN1C=C(CO)C=CC1=O H7538 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.176 CN1C=CC(CN)=CC1=O A10237 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.176 CN1C=CC(CN)=CC1=O A7466 [0,1,0,0,0,1|2,0,0]=4 295 B10R1.176 CN1C=CC(CO)=CC1=O M7545 [0,1,0,0,0,1|2,0,0]=4 296 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 D46833 [0,2,0,0,0,0|1,0,1]=4 297 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 D46406 [0,2,0,0,0,0|1,0,1]=4 298 B10R1.59 CC(=O)C1=CC(C)=NN1C D1042 [0,2,0,0,0,0|2,0,0]=4 299 B10R1.59 CC(C)[C@@H]1OC(N)=NC1=O K64666 [0,2,0,0,0,0|2,0,0]=4 300 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 D62561 [0,2,0,0,0,0|1,0,1]=4 301 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 P64574 [0,2,0,0,0,0|0,0,1]=3 302 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 D3961 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 D43358 [0,2,0,0,0,0|2,0,0]=4 304 B10R1.130 CCO[C@H]1OC(=O)C=C1Br B43178 [0,2,0,0,0,0|2,0,0]=4 305 B10R1.560 CC1(C)CC(=O)C(C)(C)O1 T47089 [0,2,0,0,0,0|0,0,2]=4 306 B10R1.191 CC1=C(C)C(C)C(C)C1=O T50434 [0,2,0,0,0,0|1,0,0]=3 307 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,0,1,1,0,0|0,0,2]=4 308 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,0,1,1,0,0|0,0,2]=4 309 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,0,1,1,0,0|0,0,2]=4 310 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,0,1,1,0,0|1,0,0]=3 311 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,0,1,1,0,0|0,0,2]=4 312 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,0,1,1,0,0|1,0,1]=4 313 B8R1.34 O=C(O)C=C1CCC1 C10691 [0,0,1,1,0,0|2,0,0]=4 314 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,0,1,1,0,0|1,0,1]=4 315 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [0,0,1,1,0,0|0,0,2]=4 316 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,0,1,1,0,0|1,0,1]=4 317 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,0,1,1,0,0|1,0,1]=4 318 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,0,1,1,0,0|1,0,1]=4 319 B8R1.37 CCOC(=O)[C@@H]1CO1 E29853 [0,0,1,1,0,0|1,0,1]=4 320 B10R2.71 O=C1CC2CCC(C1)O2 X10656 [0,0,0,1,0,1|0,0,2]=4 321 B10R2.178 O=C1NCC2CCC1O2 X6210 [0,0,0,1,0,1|0,0,2]=4 322 B6R1.4 C[C@@H]1OCC1=O M61882 [1,0,0,0,1,0|0,0,1]=3 323 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,0,1,0|0,0,2]=4 324 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [0,0,1,0,0,1|2,0,0]=4 325 B8R1.3 CC1=CC=C(C)N=N1 D43182 [1,0,0,0,0,1|1,0,1]=4 326 B8R1.3 CC1=CNC(=O)C=C1 M68372 [1,0,0,0,0,1|1,0,1]=4 327 B8R1.3 CC1=CNC(=O)C=N1 M68091 [1,0,0,0,0,1|1,0,1]=4 328 B8R1.3 CC1=NNC(=O)C=C1 M0242 [1,0,0,0,0,1|2,0,0]=4 329 B8R1.3 CC1=NNC(=O)C=C1 M25029 [1,0,0,0,0,1|2,0,0]=4 330 B8R1.3 CC1=NNC(=O)C=C1 M41309 [1,0,0,0,0,1|2,0,0]=4 331 B8R1.3 CC1=NNC(=O)CC1 M41199 [1,0,0,0,0,1|2,0,0]=4 332 B8R1.3 O=C1COC(=O)CO1 D40112 [1,0,0,0,0,1|1,0,1]=4